(1R)-2-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexan-1-amine

C15H18F3N3 — CID 90261891

IUPAC(1R)-2-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexan-1-amine
SMILESCc1cc(C(F)(F)F)c2nc(C3CCCC[C@H]3N)[nH]c2c1
InChIInChI=1S/C15H18F3N3/c1-8-6-10(15(16,17)18)13-12(7-8)20-14(21-13)9-4-2-3-5-11(9)19/h6-7,9,11H,2-5,19H2,1H3,(H,20,21)/t9?,11-/m1/s1
InChIKeyFNXOVFZGSKFLQG-HCCKASOXSA-N
MW297.32 g/mol
LogP3.88
Rot. Bonds1

About (1R)-2-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexan-1-amine

(1R)-2-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexan-1-amine (PubChem CID 90261891) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is (1R)-2-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name(1R)-2-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexan-1-amine
PubChem CID90261891
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC Name(1R)-2-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexan-1-amine
SMILESCc1cc(C(F)(F)F)c2nc(C3CCCC[C@H]3N)[nH]c2c1
InChIInChI=1S/C15H18F3N3/c1-8-6-10(15(16,17)18)13-12(7-8)20-14(21-13)9-4-2-3-5-11(9)19/h6-7,9,11H,2-5,19H2,1H3,(H,20,21)/t9?,11-/m1/s1
InChIKeyFNXOVFZGSKFLQG-HCCKASOXSA-N
XLogP3.88
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R)-2-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexan-1-amine?
The IUPAC name of (1R)-2-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexan-1-amine (CID 90261891) is (1R)-2-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexan-1-amine.
What is the SMILES notation for (1R)-2-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexan-1-amine?
The canonical SMILES for (1R)-2-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexan-1-amine is Cc1cc(C(F)(F)F)c2nc(C3CCCC[C@H]3N)[nH]c2c1.
What is the InChIKey of (1R)-2-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexan-1-amine?
The InChIKey is FNXOVFZGSKFLQG-HCCKASOXSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-8-6-10(15(16,17)18)13-12(7-8)20-14(21-13)9-4-2-3-5-11(9)19/h6-7,9,11H,2-5,19H2,1H3,(H,20,21)/t9?,11-/m1/s1.
What are the key properties of (1R)-2-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexan-1-amine?
(1R)-2-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexan-1-amine has a molecular weight of 297.32 g/mol, XLogP of 3.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 90261891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).